diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate

C20H21NO4 — CID 154723141

IUPACdiethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate
SMILESCCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C20H21NO4/c1-3-24-19(22)16-15-12-8-9-13-21(15)18(14-10-6-5-7-11-14)17(16)20(23)25-4-2/h5-13,17-18H,3-4H2,1-2H3
InChIKeyITSUXYBRPWGGJW-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.12
Rot. Bonds5

About diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate

diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate (PubChem CID 154723141) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate
PubChem CID154723141
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namediethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate
SMILESCCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)C1C(=O)OCC
InChIInChI=1S/C20H21NO4/c1-3-24-19(22)16-15-12-8-9-13-21(15)18(14-10-6-5-7-11-14)17(16)20(23)25-4-2/h5-13,17-18H,3-4H2,1-2H3
InChIKeyITSUXYBRPWGGJW-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl (4R)-1-benzyl-4-butyl-2-methyl-4H-pyridine-3-carboxylate
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Dimethyl 1-methyl-2,2-diphenyl-2,3-dihydro-1h-pyrrole-3,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate?
The IUPAC name of diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate (CID 154723141) is diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate is CCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)C1C(=O)OCC.
What is the InChIKey of diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate?
The InChIKey is ITSUXYBRPWGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-24-19(22)16-15-12-8-9-13-21(15)18(14-10-6-5-7-11-14)17(16)20(23)25-4-2/h5-13,17-18H,3-4H2,1-2H3.
What are the key properties of diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate?
diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-phenyl-2,3-dihydroindolizine-1,2-dicarboxylate is sourced from PubChem (CID 154723141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).